Geometry & MOs

Info

ID:	314557
PubChem CID:	126622139
Reduced:	ClN3O3H10C13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	247.097521
ΔH_f, kcal/mol:	23.31
Dipole, Da:	5.63
IP(EA), eV:	-9.62(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7aS)-6-(2-chloroethoxymethyl)-3,3-dimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

Drug info:

PubChemData

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CC(C)OC1=CC2=C(C=C1C#N)C(=CN=C2Cl)[N+](=O)[O-]

DOS

IR

Vibrations